CID 58925265

C7H14N2S — CID 58925265

IUPAC—
SMILESCCCC(N)SC=CC[N]
InChIInChI=1S/C7H14N2S/c1-2-4-7(9)10-6-3-5-8/h3,6-7H,2,4-5,9H2,1H3
InChIKeyYIZVSGHQJAOCHU-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.39
Rot. Bonds5

About CID 58925265

CID 58925265 (PubChem CID 58925265) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol.

Molecular Properties

Compound NameCID 58925265
PubChem CID58925265
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name—
SMILESCCCC(N)SC=CC[N]
InChIInChI=1S/C7H14N2S/c1-2-4-7(9)10-6-3-5-8/h3,6-7H,2,4-5,9H2,1H3
InChIKeyYIZVSGHQJAOCHU-UHFFFAOYSA-N
XLogP1.39
TPSA48.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze CID 58925265 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 58925265?
The IUPAC name of CID 58925265 (CID 58925265) is not available.
What is the SMILES notation for CID 58925265?
The canonical SMILES for CID 58925265 is CCCC(N)SC=CC[N].
What is the InChIKey of CID 58925265?
The InChIKey is YIZVSGHQJAOCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-2-4-7(9)10-6-3-5-8/h3,6-7H,2,4-5,9H2,1H3.
What are the key properties of CID 58925265?
CID 58925265 has a molecular weight of 158.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58925265 is sourced from PubChem (CID 58925265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).